General Information of the Compound
| Compound ID |
CP0493384
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| Compound Name |
US9249085, I(ak)
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| Structure |
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| Formula |
C25H26FNO3
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| Molecular Weight |
407.485
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| Canonical SMILES |
Cc1cc(cc(CNc2c(C)ccc(OCC(O)=O)c2C)c1C)-c1cccc(F)c1
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| InChI |
InChI=1S/C25H26FNO3/c1-15-8-9-23(30-14-24(28)29)18(4)25(15)27-13-21-11-20(10-16(2)17(21)3)19-6-5-7-22(26)12-19/h5-12,27H,13-14H2,1-4H3,(H,28,29)
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| InChIKey |
JDRDZBXKNDKRIF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound